4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol

C38H38N4O — CID 140864701

IUPAC4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
SMILESCn1c(-c2ccncc2O)nc2c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C38H38N4O/c1-37(2,3)28-20-25(21-29(22-28)38(4,5)6)24-17-26(19-27(18-24)32-12-8-9-15-40-32)30-11-10-13-33-35(30)41-36(42(33)7)31-14-16-39-23-34(31)43/h8-23,43H,1-7H3
InChIKeyRLZCRKFMGOWTNO-UHFFFAOYSA-N
MW566.75 g/mol
LogP9.33
Rot. Bonds4

About 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol

4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol (PubChem CID 140864701) has the molecular formula C38H38N4O and a molecular weight of 566.75 g/mol. Its IUPAC name is 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
PubChem CID140864701
Molecular FormulaC38H38N4O
Molecular Weight566.75 g/mol
Exact Mass566.30
IUPAC Name4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
SMILESCn1c(-c2ccncc2O)nc2c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C38H38N4O/c1-37(2,3)28-20-25(21-29(22-28)38(4,5)6)24-17-26(19-27(18-24)32-12-8-9-15-40-32)30-11-10-13-33-35(30)41-36(42(33)7)31-14-16-39-23-34(31)43/h8-23,43H,1-7H3
InChIKeyRLZCRKFMGOWTNO-UHFFFAOYSA-N
XLogP9.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol with MolForge

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Related Compounds

4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140865089
4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 177094231
4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]pyridin-3-ol;4-[1-methyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4-[1-methyl-4-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;platinum
CID 159706716
4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864095
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol
CID 140831982
4-[4-[3-tert-butyl-5-[4-(9H-carbazol-1-yl)-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 177094124
2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093698
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol
CID 137086333
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The IUPAC name of 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol (CID 140864701) is 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The canonical SMILES for 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol is Cn1c(-c2ccncc2O)nc2c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccn4)c3)cccc21.
What is the InChIKey of 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The InChIKey is RLZCRKFMGOWTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O/c1-37(2,3)28-20-25(21-29(22-28)38(4,5)6)24-17-26(19-27(18-24)32-12-8-9-15-40-32)30-11-10-13-33-35(30)41-36(42(33)7)31-14-16-39-23-34(31)43/h8-23,43H,1-7H3.
What are the key properties of 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol has a molecular weight of 566.75 g/mol, XLogP of 9.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 140864701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).